Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50041796   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50415770 (CHEMBL1079516) Show SMILES CNC1CN(C1)c1nc(N)nc2c1CCCC21CCCC1 Show InChI InChI=1S/C16H25N5/c1-18-11-9-21(10-11)14-12-5-4-8-16(6-2-3-7-16)13(12)19-15(17)20-14/h11,18H,2-10H2,1H3,(H2,17,19,20)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from rat histamine H4 receptor after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50415770 (CHEMBL1079516) Show SMILES CNC1CN(C1)c1nc(N)nc2c1CCCC21CCCC1 Show InChI InChI=1S/C16H25N5/c1-18-11-9-21(10-11)14-12-5-4-8-16(6-2-3-7-16)13(12)19-15(17)20-14/h11,18H,2-10H2,1H3,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50415769 (CHEMBL1089390) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1 |r| Show InChI InChI=1S/C17H27N5/c1-19-12-6-10-22(11-12)15-13-5-4-9-17(7-2-3-8-17)14(13)20-16(18)21-15/h12,19H,2-11H2,1H3,(H2,18,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50415769 (CHEMBL1089390) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1 |r| Show InChI InChI=1S/C17H27N5/c1-19-12-6-10-22(11-12)15-13-5-4-9-17(7-2-3-8-17)14(13)20-16(18)21-15/h12,19H,2-11H2,1H3,(H2,18,20,21)/t12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from rat histamine H4 receptor after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50415767 (CHEMBL1077276) Show SMILES Nc1nc2C(CCCCc2c(n1)N1CC2CCCNC2C1)c1ccccc1 Show InChI InChI=1S/C22H29N5/c23-22-25-20-17(15-7-2-1-3-8-15)10-4-5-11-18(20)21(26-22)27-13-16-9-6-12-24-19(16)14-27/h1-3,7-8,16-17,19,24H,4-6,9-14H2,(H2,23,25,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from rat histamine H4 receptor after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM50415768 (CHEMBL1089040) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2CC(CCCc12)c1ccccc1 |r| Show InChI InChI=1S/C20H27N5/c1-22-16-10-11-25(13-16)19-17-9-5-8-15(14-6-3-2-4-7-14)12-18(17)23-20(21)24-19/h2-4,6-7,15-16,22H,5,8-13H2,1H3,(H2,21,23,24)/t15?,16-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from rat histamine H4 receptor after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Rattus norvegicus (rat))	BDBM26400 (2,4-diamino-5,6-disubstituted pyrimidine, 14 | 9-p...) Show SMILES Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from rat histamine H4 receptor after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50415770 (CHEMBL1079516) Show SMILES CNC1CN(C1)c1nc(N)nc2c1CCCC21CCCC1 Show InChI InChI=1S/C16H25N5/c1-18-11-9-21(10-11)14-12-5-4-8-16(6-2-3-7-16)13(12)19-15(17)20-14/h11,18H,2-10H2,1H3,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.76	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50415767 (CHEMBL1077276) Show SMILES Nc1nc2C(CCCCc2c(n1)N1CC2CCCNC2C1)c1ccccc1 Show InChI InChI=1S/C22H29N5/c23-22-25-20-17(15-7-2-1-3-8-15)10-4-5-11-18(20)21(26-22)27-13-16-9-6-12-24-19(16)14-27/h1-3,7-8,16-17,19,24H,4-6,9-14H2,(H2,23,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.08	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM26400 (2,4-diamino-5,6-disubstituted pyrimidine, 14 | 9-p...) Show SMILES Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50415768 (CHEMBL1089040) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2CC(CCCc12)c1ccccc1 |r| Show InChI InChI=1S/C20H27N5/c1-22-16-10-11-25(13-16)19-17-9-5-8-15(14-6-3-2-4-7-14)12-18(17)23-20(21)24-19/h2-4,6-7,15-16,22H,5,8-13H2,1H3,(H2,21,23,24)/t15?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-histamine from human histamine H4 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50415770 (CHEMBL1079516) Show SMILES CNC1CN(C1)c1nc(N)nc2c1CCCC21CCCC1 Show InChI InChI=1S/C16H25N5/c1-18-11-9-21(10-11)14-12-5-4-8-16(6-2-3-7-16)13(12)19-15(17)20-14/h11,18H,2-10H2,1H3,(H2,17,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50415769 (CHEMBL1089390) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1 |r| Show InChI InChI=1S/C17H27N5/c1-19-12-6-10-22(11-12)15-13-5-4-9-17(7-2-3-8-17)14(13)20-16(18)21-15/h12,19H,2-11H2,1H3,(H2,18,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50415771 (CHEMBL1081680) Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1 |r| Show InChI InChI=1S/C16H25N5/c17-11-5-9-21(10-11)14-12-4-3-8-16(6-1-2-7-16)13(12)19-15(18)20-14/h11H,1-10,17H2,(H2,18,19,20)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50415769 (CHEMBL1089390) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1 |r| Show InChI InChI=1S/C17H27N5/c1-19-12-6-10-22(11-12)15-13-5-4-9-17(7-2-3-8-17)14(13)20-16(18)21-15/h12,19H,2-11H2,1H3,(H2,18,20,21)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50415768 (CHEMBL1089040) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2CC(CCCc12)c1ccccc1 |r| Show InChI InChI=1S/C20H27N5/c1-22-16-10-11-25(13-16)19-17-9-5-8-15(14-6-3-2-4-7-14)12-18(17)23-20(21)24-19/h2-4,6-7,15-16,22H,5,8-13H2,1H3,(H2,21,23,24)/t15?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50415768 (CHEMBL1089040) Show SMILES CN[C@@H]1CCN(C1)c1nc(N)nc2CC(CCCc12)c1ccccc1 |r| Show InChI InChI=1S/C20H27N5/c1-22-16-10-11-25(13-16)19-17-9-5-8-15(14-6-3-2-4-7-14)12-18(17)23-20(21)24-19/h2-4,6-7,15-16,22H,5,8-13H2,1H3,(H2,21,23,24)/t15?,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	224	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50415771 (CHEMBL1081680) Show SMILES N[C@@H]1CCN(C1)c1nc(N)nc2c1CCCC21CCCC1 |r| Show InChI InChI=1S/C16H25N5/c17-11-5-9-21(10-11)14-12-4-3-8-16(6-1-2-7-16)13(12)19-15(18)20-14/h11H,1-10,17H2,(H2,18,19,20)/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	295	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM26400 (2,4-diamino-5,6-disubstituted pyrimidine, 14 | 9-p...) Show SMILES Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	661	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM26400 (2,4-diamino-5,6-disubstituted pyrimidine, 14 | 9-p...) Show SMILES Nc1nc2C(CCCCc2c(n1)N1CCNCC1)c1ccccc1 Show InChI InChI=1S/C19H25N5/c20-19-22-17-15(14-6-2-1-3-7-14)8-4-5-9-16(17)18(23-19)24-12-10-21-11-13-24/h1-3,6-7,15,21H,4-5,8-13H2,(H2,20,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in C6 cells after 1 hr by liquid scintillation counting				Bioorg Med Chem Lett 20: 1900-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.131 BindingDB Entry DOI: 10.7270/Q21V5G6X
					More data for this Ligand-Target Pair